Glycoside
GD019252
Name:
FIBRAURECDYSIDE AFormula:
C34H56O12Smiles:
C[C@H](C[C@H](O)[C@@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@]12C)C(C)(C)OAglycone:
CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 656.81 | Num_heavy_atoms: | 46 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD13460
Formula: C28H46O7
Smiles:
CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(C)O| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.67 | Num_heavy_atoms: | 35 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
